Search

B Domain of Staphylococcal protein A: Native backbone
Authors
Santhouse, J.R., Leung, J.M.G., Chong, L.T., Horne, W.S.
Assembly
Immunoglobulin G binding protein A
Entity
1. Immunoglobulin G binding protein A (polymer, Thiol state: not present), 59 monomers, 6610.205 Da Detail

ADNKFNKEQQ NAFYEILHLP NLNEEQRNAF IQSLKDDPSQ SANLLAEAKK LNDAQAPKX


Formula weight
6610.205 Da
Source organism
Staphylococcus aureus
Exptl. method
solution NMR
Data set
assigned_chemical_shifts
Chemcal Shifts
1H: 424 assignments Detail
IDEntity IDSeq IDComp IDAtom IDAtom typeValVal errAmbig. code
111ALAHAH4.1150.0001
211ALAHB1H1.5460.0001
311ALAHB2H1.5460.0001
411ALAHB3H1.5460.0001
512ASPHH8.6570.0001
612ASPHAH4.6460.0001
712ASPHB2H2.5850.0042
812ASPHB3H2.7000.0052
913ASNHH8.4250.0021
1013ASNHAH4.6100.0001
1113ASNHB2H2.6070.0021
1213ASNHB3H2.6070.0021
1313ASNHD21H6.8740.0002
1413ASNHD22H7.5310.0002
1514LYSHH8.2740.0001
1614LYSHAH4.2000.0031
1714LYSHB2H1.6670.0002
1814LYSHB3H1.7050.0002
1914LYSHG2H1.2790.0011
2014LYSHG3H1.2790.0011
2114LYSHD2H1.6250.0001
2214LYSHD3H1.6250.0001
2314LYSHE2H2.9680.0021
2414LYSHE3H2.9680.0021
2515PHEHH8.1470.0011
2615PHEHAH5.0330.0021
2715PHEHB2H3.0340.0022
2815PHEHB3H3.3660.0022
2915PHEHD1H7.1530.0001
3015PHEHD2H7.1530.0001
3115PHEHE1H7.1070.0001
3215PHEHE2H7.1070.0001
3316ASNHH8.4660.0011
3416ASNHAH4.7430.0021
3516ASNHB2H2.9600.0012
3616ASNHB3H3.2810.0022
3716ASNHD21H6.9440.0002
3816ASNHD22H7.5230.0002
3917LYSHH8.3560.0001
4017LYSHAH4.0130.0001
4117LYSHB2H1.8380.0002
4217LYSHB3H1.8890.0002
4317LYSHG2H1.4500.0012
4417LYSHG3H1.5330.0002
4517LYSHD2H1.7280.0001
4617LYSHD3H1.7280.0001
4717LYSHE2H3.0330.0011
4817LYSHE3H3.0330.0011
4918GLUHH8.2990.0001
5018GLUHAH4.1260.0011
5118GLUHB2H2.0790.0002
5218GLUHB3H2.1430.0002
5318GLUHG2H2.3620.0001
5418GLUHG3H2.3620.0001
5519GLNHH8.5070.0001
5619GLNHAH3.9110.0011
5719GLNHB2H2.2160.0001
5819GLNHB3H2.2160.0001
5919GLNHG2H2.4730.0001
6019GLNHG3H2.4730.0001
6119GLNHE21H6.8350.0002
6219GLNHE22H7.1720.0002
63110GLNHH8.6420.0001
64110GLNHAH4.0050.0021
65110GLNHB2H2.2180.0001
66110GLNHB3H2.2180.0001
67110GLNHG2H2.4790.0001
68110GLNHG3H2.4790.0001
69110GLNHE21H6.8380.0002
70110GLNHE22H7.2260.0002
71111ASNHH8.3060.0001
72111ASNHAH4.6310.0011
73111ASNHB2H2.9260.0001
74111ASNHB3H2.9260.0001
75111ASNHD21H7.0080.0002
76111ASNHD22H7.7440.0002
77112ALAHH7.9800.0001
78112ALAHAH4.1010.0001
79112ALAHB1H1.4760.0001
80112ALAHB2H1.4760.0001
81112ALAHB3H1.4760.0001
82113PHEHH8.1720.0001
83113PHEHAH3.8690.0001
84113PHEHB2H2.9940.0032
85113PHEHB3H3.3240.0032
86113PHEHD1H7.0600.0001
87113PHEHD2H7.0600.0001
88113PHEHE1H7.3130.0011
89113PHEHE2H7.3130.0011
90113PHEHZH7.1440.0001
91114TYRHH8.1440.0001
92114TYRHAH3.9600.0021
93114TYRHB2H3.2280.0001
94114TYRHB3H3.2280.0001
95114TYRHD1H7.1570.0001
96114TYRHD2H7.1570.0001
97114TYRHE1H6.7340.0001
98114TYRHE2H6.7340.0001
99115GLUHH8.6020.0001
100115GLUHAH4.0260.0001
101115GLUHB2H2.0200.0012
102115GLUHB3H2.1850.0002
103115GLUHG2H2.2820.0022
104115GLUHG3H2.5080.0042
105116ILEHH8.4530.0001
106116ILEHAH3.4320.0001
107116ILEHBH1.8320.0001
108116ILEHG12H1.8360.0001
109116ILEHG13H1.8360.0001
110116ILEHG21H0.8050.0001
111116ILEHG22H0.8050.0001
112116ILEHG23H0.8050.0001
113116ILEHD11H0.5440.0001
114116ILEHD12H0.5440.0001
115116ILEHD13H0.5440.0001
116117LEUHH7.8990.0001
117117LEUHAH3.7200.0001
118117LEUHB2H1.1430.0042
119117LEUHB3H1.5060.0022
120117LEUHGH1.3990.0021
121117LEUHD11H0.5750.0012
122117LEUHD12H0.5750.0012
123117LEUHD13H0.5750.0012
124117LEUHD21H0.6730.0012
125117LEUHD22H0.6730.0012
126117LEUHD23H0.6730.0012
127118HISHH7.2870.0011
128118HISHAH4.4930.0011
129118HISHB2H2.7930.0032
130118HISHB3H3.4790.0012
131118HISHD2H7.1060.0001
132118HISHE1H8.2890.0001
133119LEUHH7.2410.0001
134119LEUHAH4.5280.0011
135119LEUHB2H1.3770.0002
136119LEUHB3H1.7510.0002
137119LEUHGH2.2110.0021
138119LEUHD11H0.6920.0002
139119LEUHD12H0.6920.0002
140119LEUHD13H0.6920.0002
141119LEUHD21H0.8710.0002
142119LEUHD22H0.8710.0002
143119LEUHD23H0.8710.0002
144120PROHAH4.4240.0021
145120PROHB2H1.9990.0002
146120PROHB3H2.3270.0012
147120PROHG2H2.0620.0002
148120PROHG3H2.1890.0002
149120PROHD2H3.8310.0012
150120PROHD3H4.0810.0002
151121ASNHH8.8980.0011
152121ASNHAH5.0220.0011
153121ASNHB2H2.9120.0011
154121ASNHB3H2.9120.0011
155121ASNHD21H7.0060.0002
156121ASNHD22H7.4080.0002
157122LEUHH6.5480.0011
158122LEUHAH4.4440.0001
159122LEUHB2H1.6510.0052
160122LEUHB3H1.7110.0022
161122LEUHGH1.7110.0011
162122LEUHD11H0.8860.0002
163122LEUHD12H0.8860.0002
164122LEUHD13H0.8860.0002
165122LEUHD21H0.9820.0002
166122LEUHD22H0.9820.0002
167122LEUHD23H0.9820.0002
168123ASNHH8.5480.0011
169123ASNHAH4.9350.0011
170123ASNHB2H2.8480.0022
171123ASNHB3H3.3020.0012
172123ASNHD21H7.0280.0002
173123ASNHD22H7.5230.0002
174124GLUHH8.6430.0001
175124GLUHAH3.9600.0001
176124GLUHB2H2.0550.0001
177124GLUHB3H2.0550.0001
178124GLUHG2H2.3790.0001
179124GLUHG3H2.3790.0001
180125GLUHH8.2740.0001
181125GLUHAH4.0720.0001
182125GLUHB2H2.0670.0002
183125GLUHB3H2.1310.0002
184125GLUHG2H2.3600.0001
185125GLUHG3H2.3600.0001
186126GLNHH8.5130.0001
187126GLNHAH3.9580.0011
188126GLNHB2H1.6910.0012
189126GLNHB3H2.4790.0012
190126GLNHG2H2.3530.0001
191126GLNHG3H2.3530.0001
192126GLNHE21H7.5900.0002
193126GLNHE22H8.2670.0002
194127ARGHH8.5870.0001
195127ARGHAH3.7900.0001
196127ARGHB2H1.7520.0002
197127ARGHB3H1.8870.0022
198127ARGHG2H1.5060.0012
199127ARGHG3H1.7460.0012
200127ARGHD2H3.2440.0022
201127ARGHD3H3.4050.0022
202127ARGHEH7.5360.0001
203128ASNHH8.4770.0001
204128ASNHAH4.4130.0011
205128ASNHB2H2.8020.0002
206128ASNHB3H2.9150.0002
207128ASNHD21H6.9880.0002
208128ASNHD22H7.6470.0002
209129ALAHH7.9230.0001
210129ALAHAH4.1940.0011
211129ALAHB1H1.3650.0001
212129ALAHB2H1.3650.0001
213129ALAHB3H1.3650.0001
214130PHEHH8.0390.0001
215130PHEHAH4.3750.0001
216130PHEHB2H3.0030.0002
217130PHEHB3H3.1200.0002
218130PHEHD1H7.3080.0001
219130PHEHD2H7.3080.0001
220130PHEHE1H7.2570.0001
221130PHEHE2H7.2570.0001
222130PHEHZH7.0620.0001
223131ILEHH8.3450.0001
224131ILEHAH3.7720.0001
225131ILEHBH2.1360.0021
226131ILEHG12H1.3780.0012
227131ILEHG13H1.6410.0002
228131ILEHG21H0.9880.0011
229131ILEHG22H0.9880.0011
230131ILEHG23H0.9880.0011
231131ILEHD11H0.6820.0001
232131ILEHD12H0.6820.0001
233131ILEHD13H0.6820.0001
234132GLNHH8.4190.0001
235132GLNHAH3.9590.0001
236132GLNHB2H2.1890.0002
237132GLNHB3H2.2340.0032
238132GLNHG2H2.4380.0021
239132GLNHG3H2.4380.0021
240132GLNHE21H6.9150.0002
241132GLNHE22H7.8140.0002
242133SERHH8.0800.0001
243133SERHAH4.2940.0001
244133SERHB2H4.0020.0012
245133SERHB3H4.1280.0012
246134LEUHH8.1590.0001
247134LEUHAH3.8020.0001
248134LEUHB2H1.7100.0002
249134LEUHB3H1.8560.0002
250134LEUHGH1.6710.0001
251134LEUHD11H0.7490.0012
252134LEUHD12H0.7490.0012
253134LEUHD13H0.7490.0012
254134LEUHD21H0.8020.0002
255134LEUHD22H0.8020.0002
256134LEUHD23H0.8020.0002
257135LYSHH8.0310.0001
258135LYSHAH4.0290.0011
259135LYSHB2H1.9510.0002
260135LYSHB3H2.0110.0002
261135LYSHG2H1.4570.0001
262135LYSHG3H1.4570.0001
263135LYSHD2H1.6930.0001
264135LYSHD3H1.6930.0001
265135LYSHE2H2.8590.0001
266135LYSHE3H2.8590.0001
267136ASPHH8.1330.0001
268136ASPHAH4.4730.0001
269136ASPHB2H2.7580.0002
270136ASPHB3H2.8180.0012
271137ASPHH7.6670.0001
272137ASPHAH4.9670.0001
273137ASPHB2H2.6150.0012
274137ASPHB3H3.0190.0002
275138PROHAH4.5280.0021
276138PROHB2H2.0070.0012
277138PROHB3H2.3090.0002
278138PROHG2H2.1460.0012
279138PROHG3H2.2680.0022
280138PROHD2H3.7020.0012
281138PROHD3H3.8930.0012
282139SERHH8.1210.0001
283139SERHAH4.3240.0011
284139SERHB2H4.0030.0002
285139SERHB3H4.0570.0002
286140GLNHH7.8700.0011
287140GLNHAH4.6520.0011
288140GLNHB2H2.0140.0062
289140GLNHB3H2.6680.0042
290140GLNHG2H2.3410.0012
291140GLNHG3H2.4850.0022
292140GLNHE21H6.8730.0002
293140GLNHE22H7.5980.0002
294141SERHH7.7820.0001
295141SERHAH3.7630.0011
296141SERHB2H3.9760.0002
297141SERHB3H3.7880.0002
298142ALAHH8.5070.0001
299142ALAHAH4.1490.0011
300142ALAHB1H1.4480.0001
301142ALAHB2H1.4480.0001
302142ALAHB3H1.4480.0001
303143ASNHH7.9330.0011
304143ASNHAH4.5500.0011
305143ASNHB2H2.9100.0011
306143ASNHB3H2.9100.0011
307143ASNHD21H6.9920.0002
308143ASNHD22H7.7700.0002
309144LEUHH8.6190.0001
310144LEUHAH4.1840.0011
311144LEUHB2H1.2880.0012
312144LEUHB3H1.8360.0002
313144LEUHGH1.8840.0041
314144LEUHD11H0.8130.0002
315144LEUHD12H0.8130.0002
316144LEUHD13H0.8130.0002
317144LEUHD21H1.1220.0002
318144LEUHD22H1.1220.0002
319144LEUHD23H1.1220.0002
320145LEUHH8.4520.0001
321145LEUHAH3.8400.0011
322145LEUHB2H1.5090.0002
323145LEUHB3H1.8890.0002
324145LEUHGH1.5660.0011
325145LEUHD11H0.9120.0001
326145LEUHD12H0.9120.0001
327145LEUHD13H0.9120.0001
328145LEUHD21H0.9120.0001
329145LEUHD22H0.9120.0001
330145LEUHD23H0.9120.0001
331146ALAHH7.6370.0031
332146ALAHAH4.0620.0001
333146ALAHB1H1.5700.0031
334146ALAHB2H1.5700.0031
335146ALAHB3H1.5700.0031
336147GLUHH8.1050.0001
337147GLUHAH4.0500.0011
338147GLUHB2H2.2800.0002
339147GLUHB3H2.3460.0012
340147GLUHG2H2.5340.0022
341147GLUHG3H2.6200.0002
342148ALAHH8.4830.0001
343148ALAHAH3.5020.0011
344148ALAHB1H0.5210.0001
345148ALAHB2H0.5210.0001
346148ALAHB3H0.5210.0001
347149LYSHH8.5030.0001
348149LYSHAH3.7860.0011
349149LYSHB2H1.8040.0002
350149LYSHB3H1.9620.0002
351149LYSHG2H1.3650.0011
352149LYSHG3H1.3650.0011
353149LYSHD2H1.6510.0001
354149LYSHD3H1.6510.0001
355149LYSHE2H2.8670.0002
356149LYSHE3H2.9570.0002
357150LYSHH7.7220.0001
358150LYSHAH4.1350.0011
359150LYSHB2H1.9700.0001
360150LYSHB3H1.9700.0001
361150LYSHG2H1.4590.0001
362150LYSHG3H1.4590.0001
363150LYSHD2H1.6430.0022
364150LYSHD3H1.7440.0022
365150LYSHE2H2.9950.0021
366150LYSHE3H2.9950.0021
367151LEUHH7.9610.0001
368151LEUHAH4.1880.0001
369151LEUHB2H1.7310.0041
370151LEUHB3H1.7310.0041
371151LEUHGH1.5870.0001
372151LEUHD11H1.0120.0031
373151LEUHD12H1.0120.0031
374151LEUHD13H1.0120.0031
375151LEUHD21H1.0120.0031
376151LEUHD22H1.0120.0031
377151LEUHD23H1.0120.0031
378152ASNHH8.5830.0001
379152ASNHAH3.9670.0051
380152ASNHB2H2.4090.0002
381152ASNHB3H3.1310.0002
382152ASNHD21H6.8610.0002
383152ASNHD22H7.9470.0002
384153ASPHH8.2560.0011
385153ASPHAH4.4880.0001
386153ASPHB2H2.7480.0002
387153ASPHB3H2.7930.0002
388154ALAHH8.0560.0001
389154ALAHAH4.2710.0011
390154ALAHB1H1.6170.0001
391154ALAHB2H1.6170.0001
392154ALAHB3H1.6170.0001
393155GLNHH7.5660.0041
394155GLNHAH4.4070.0021
395155GLNHB2H1.8300.0062
396155GLNHB3H2.3310.0002
397155GLNHG2H2.5000.0012
398155GLNHG3H2.6630.0032
399155GLNHE21H7.2990.0002
400155GLNHE22H8.7170.0002
401156ALAHH7.1590.0001
402156ALAHAH4.3690.0011
403156ALAHB1H1.4700.0031
404156ALAHB2H1.4700.0031
405156ALAHB3H1.4700.0031
406157PROHAH4.4580.0011
407157PROHB2H1.9520.0012
408157PROHB3H2.3440.0012
409157PROHG2H2.1110.0031
410157PROHG3H2.1110.0031
411157PROHD2H3.6530.0022
412157PROHD3H3.8170.0032
413158LYSHH8.4820.0001
414158LYSHAH4.3310.0011
415158LYSHB2H1.7970.0022
416158LYSHB3H1.9010.0002
417158LYSHG2H1.5250.0001
418158LYSHG3H1.5250.0001
419158LYSHD2H1.7240.0031
420158LYSHD3H1.7240.0031
421158LYSHE2H3.0680.0031
422158LYSHE3H3.0680.0031
423159NH2HN1H7.0990.0002
424159NH2HN2H7.5810.0002

Release date
2022-02-02
Citation
Implications of the unfolded state in the folding energetics of heterogeneous-backbone protein mimetics
Santhouse, J.R., Leung, J.M.G., Chong, L.T., Horne, W.S.
Chem. Sci. (2022), 13, 11798-11806, PubMed 36320921 , DOI 10.1039/d2sc04427g ,
Entries sharing articles BMRB: 4 entries Detail
  BMRB: 30981 released on 2022-02-02
    Title Backbone-modified variant of the B domain of Staphylococcal protein A: beta3-residues in helix 2
  BMRB: 30982 released on 2022-02-02
    Title Backbone-modified variant of the B domain of Staphylococcal protein A: Aib residues in helix 2
  BMRB: 30983 released on 2022-02-02
    Title Backbone-modified variant of the B domain of Staphylococcal protein A: beta3-residues in helix 3
  BMRB: 30984 released on 2022-02-02
    Title Backbone-modified variant of the B domain of Staphylococcal protein A: Aib residues in helix 3
Related entities 1. Immunoglobulin G binding protein A, : 2 : 109 : 70 entities Detail
Interaction partners 1. Immunoglobulin G binding protein A, : 1 interactors Detail
Experiments performed 3 experiments Detail
Chemical shift validation 3 contents Detail
Keywords DE NOVO PROTEIN